巴豆酸
TL;DR: 巴豆酸 (CAS 107-93-7) is a chemical compound with molecular formula C4H5O2- and molecular weight 85.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
巴豆酸
(E)-but-2-enoate
Also Known As: crotonate, 2-Butenoate, alpha-butenoate, alpha-crotonate, trans-crotonate
| Molecular Formula | C4H5O2- |
|---|---|
| Molecular Weight | 85.03 g/mol |
| LogP | -0.6876 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 85.02895 |
| Heavy Atoms | 6 |
| Complexity | 73.61727 |
Chemical Identifiers
| CAS Number | 107-93-7 |
|---|---|
| SMILES | C/C=C/C(=O)[O-] |
Product Overview
巴豆酸 (CAS 107-93-7), with molecular formula C4H5O2- and molecular weight 85.03 g/mol. IUPAC: (E)-but-2-enoate.
Chemical Property Profile of 巴豆酸
Property Insights of 巴豆酸
The XLogP value of -0.6876 indicates that 巴豆酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.13 Ų, 巴豆酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 巴豆酸 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 巴豆酸?
The CAS number of 巴豆酸 is 107-93-7.
What is the molecular formula of 巴豆酸?
The molecular formula of 巴豆酸 is C4H5O2-.
What is the molecular weight of 巴豆酸?
The molecular weight of 巴豆酸 is 85.03 g/mol.
Where can I buy 巴豆酸?
You can request a quote for 巴豆酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 巴豆酸?
Yes, KEHONG BIO provides custom synthesis services for 巴豆酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.